Home Halogens ethyl 3-amino-2-chloro-4,5-difluorobenzoate

ethyl 3-amino-2-chloro-4,5-difluorobenzoate

CAS No.:
1341063-89-5
Catalog Number:
AG01DVAD
Molecular Formula:
C9H8ClF2NO2
Molecular Weight:
235.6151
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Product Description
Catalog Number:
AG01DVAD
Chemical Name:
ethyl 3-amino-2-chloro-4,5-difluorobenzoate
CAS Number:
1341063-89-5
Molecular Formula:
C9H8ClF2NO2
Molecular Weight:
235.6151
MDL Number:
MFCD17276546
IUPAC Name:
ethyl 3-amino-2-chloro-4,5-difluorobenzoate
InChI:
InChI=1S/C9H8ClF2NO2/c1-2-15-9(14)4-3-5(11)7(12)8(13)6(4)10/h3H,2,13H2,1H3
InChI Key:
WRGHWRKYFABSHT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(F)c(c(c1Cl)N)F
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.021g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.615g/mol
Monoisotopic Mass:
235.021g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties